CID 6445975

Thiazole, 4,5-dihydro-2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4,4-dimethyl-

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1(CSC(=N1)/C=C/C2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C14H15NO2S/c1-14(2)8-18-13(15-14)6-4-10-3-5-11-12(7-10)17-9-16-11/h3-7H,8-9H2,1-2H3/b6-4+
InChIKey
FWTBITUKPSRGJV-GQCTYLIASA-N
Compound name
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4,4-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.089616 157.0
[M+Na]+ 284.071558 167.3
[M-H]- 260.075064 165.4
[M+NH4]+ 279.116163 177.6
[M+K]+ 300.045498 165.7
[M+H-H2O]+ 244.079600 152.6
[M+HCOO]- 306.080541 173.2
[M+CH3COO]- 320.096191 170.6
[M+Na-2H]- 282.057006 159.2
[M]+ 261.08179142 161.4
[M]- 261.08288858 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe